pair_potential_types::pair_potential_single_type Type Reference

Data Fields
real(kind=dp)	rcutsq = 0.0_dp
real(kind=dp)	e_fac = 0.0_dp
real(kind=dp)	e_fcc = 0.0_dp
real(kind=dp)	e_fcs = 0.0_dp
real(kind=dp)	e_fsc = 0.0_dp
real(kind=dp)	z1 = 0.0_dp
real(kind=dp)	z2 = 0.0_dp
real(kind=dp), dimension(0:5)	zbl_poly = 0.0_dp
real(kind=dp), dimension(2)	zbl_rcut = 0.0_dp
logical	undef = .FALSE.
logical	no_mb = .FALSE.
logical	no_pp = .FALSE.
integer	shell_type = 0
character(len=default_string_length)	at1 = ""
character(len=default_string_length)	at2 = ""
integer, dimension(:), pointer	type => NULL()
type(pot_set_type), dimension(:), pointer	set => NULL()
type(spline_data_p_type), dimension(:), pointer	pair_spline_data => NULL()
type(spline_factor_type), pointer	spl_f => NULL()

Detailed Description

Definition at line 379 of file pair_potential_types.F.

Field Documentation

rcutsq

real(kind=dp) pair_potential_types::pair_potential_single_type::rcutsq = 0.0_dp

Definition at line 380 of file pair_potential_types.F.

e_fac

real(kind=dp) pair_potential_types::pair_potential_single_type::e_fac = 0.0_dp

Definition at line 381 of file pair_potential_types.F.

e_fcc

real(kind=dp) pair_potential_types::pair_potential_single_type::e_fcc = 0.0_dp

Definition at line 382 of file pair_potential_types.F.

e_fcs

real(kind=dp) pair_potential_types::pair_potential_single_type::e_fcs = 0.0_dp

Definition at line 383 of file pair_potential_types.F.

e_fsc

real(kind=dp) pair_potential_types::pair_potential_single_type::e_fsc = 0.0_dp

Definition at line 384 of file pair_potential_types.F.

z1

real(kind=dp) pair_potential_types::pair_potential_single_type::z1 = 0.0_dp

Definition at line 385 of file pair_potential_types.F.

z2

real(kind=dp) pair_potential_types::pair_potential_single_type::z2 = 0.0_dp

Definition at line 386 of file pair_potential_types.F.

zbl_poly

real(kind=dp), dimension(0:5) pair_potential_types::pair_potential_single_type::zbl_poly = 0.0_dp

Definition at line 387 of file pair_potential_types.F.

zbl_rcut

real(kind=dp), dimension(2) pair_potential_types::pair_potential_single_type::zbl_rcut = 0.0_dp

Definition at line 388 of file pair_potential_types.F.

undef

logical pair_potential_types::pair_potential_single_type::undef = .FALSE.

Definition at line 389 of file pair_potential_types.F.

no_mb

logical pair_potential_types::pair_potential_single_type::no_mb = .FALSE.

Definition at line 389 of file pair_potential_types.F.

no_pp

logical pair_potential_types::pair_potential_single_type::no_pp = .FALSE.

Definition at line 389 of file pair_potential_types.F.

shell_type

integer pair_potential_types::pair_potential_single_type::shell_type = 0

Definition at line 392 of file pair_potential_types.F.

at1

character(len=default_string_length) pair_potential_types::pair_potential_single_type::at1 = ""

Definition at line 393 of file pair_potential_types.F.

at2

character(len=default_string_length) pair_potential_types::pair_potential_single_type::at2 = ""

Definition at line 394 of file pair_potential_types.F.

type

integer, dimension(:), pointer pair_potential_types::pair_potential_single_type::type => NULL()

Definition at line 395 of file pair_potential_types.F.

set

type(pot_set_type), dimension(:), pointer pair_potential_types::pair_potential_single_type::set => NULL()

Definition at line 396 of file pair_potential_types.F.

pair_spline_data

type(spline_data_p_type), dimension(:), pointer pair_potential_types::pair_potential_single_type::pair_spline_data => NULL()

Definition at line 397 of file pair_potential_types.F.

spl_f

type(spline_factor_type), pointer pair_potential_types::pair_potential_single_type::spl_f => NULL()

Definition at line 398 of file pair_potential_types.F.

---

The documentation for this type was generated from the following file:

• pair_potential_types.F